1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine

C20H22F2N2O2 — CID 3748157

IUPAC1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine
SMILESFc1cccc(/C=N/CCOCCOCC/N=C/c2cccc(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c21-19-5-1-3-17(13-19)15-23-7-9-25-11-12-26-10-8-24-16-18-4-2-6-20(22)14-18/h1-6,13-16H,7-12H2/b23-15+,24-16+
InChIKeyDHEMMEPHFMNBRG-DFEHQXHXSA-N
MW360.40 g/mol
LogP3.54
Rot. Bonds11

About 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine

1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine (PubChem CID 3748157) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine
PubChem CID3748157
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine
SMILESFc1cccc(/C=N/CCOCCOCC/N=C/c2cccc(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c21-19-5-1-3-17(13-19)15-23-7-9-25-11-12-26-10-8-24-16-18-4-2-6-20(22)14-18/h1-6,13-16H,7-12H2/b23-15+,24-16+
InChIKeyDHEMMEPHFMNBRG-DFEHQXHXSA-N
XLogP3.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine (CID 3748157) is 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine is Fc1cccc(/C=N/CCOCCOCC/N=C/c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine?
The InChIKey is DHEMMEPHFMNBRG-DFEHQXHXSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-19-5-1-3-17(13-19)15-23-7-9-25-11-12-26-10-8-24-16-18-4-2-6-20(22)14-18/h1-6,13-16H,7-12H2/b23-15+,24-16+.
What are the key properties of 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine?
1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine has a molecular weight of 360.40 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine is sourced from PubChem (CID 3748157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).